| Overall | Low resolution | High resolution | |
|---|---|---|---|
| Resolution (Å) | 68.36 - 1.78 | 68.41 - 4.83 | 1.81 - 1.78 |
| Observations | 219077 | 21417 | 136 |
| Unique reflections | 20799 | 1380 | 125 |
| Multiplicity | 10.5 | 15.5 | 1.1 |
| Completeness | 85.44% | 100.00% | 10.52% |
| Mean I/σ(I) | 29.8 | 55.0 | 2.5 |
| Rmerge | 0.058 | 0.048 | 0.136 |
| Rmeas | 0.060 | 0.050 | 0.188 |
| Rpim | 0.016 | 0.013 | 0.130 |
| CC½ | 0.999 | 0.999 | 0.964 |
| Resolution (Å) | N(obs) | N(unique) | Multiplicity | Completeness | Mean I | Mean I/σ(I) | Rmerge | Rmeas | Rpim | Ranom | CC½ | CCano |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 68.41 - 4.83 | 21417 | 1380 | 15.52 | 100.00 | 291.7 | 55.0 | 0.048 | 0.050 | 0.013 | 0.026 | 0.999* | 0.109* |
| 4.83 - 3.84 | 20912 | 1271 | 16.45 | 100.00 | 427.0 | 58.5 | 0.046 | 0.048 | 0.012 | 0.025 | 0.999* | -0.039 |
| 3.84 - 3.35 | 20681 | 1256 | 16.47 | 100.00 | 324.9 | 54.8 | 0.050 | 0.051 | 0.012 | 0.028 | 0.999* | -0.054 |
| 3.35 - 3.05 | 20823 | 1226 | 16.98 | 100.00 | 223.6 | 50.6 | 0.056 | 0.057 | 0.014 | 0.030 | 0.999* | -0.032 |
| 3.05 - 2.83 | 20697 | 1221 | 16.95 | 100.00 | 154.0 | 44.6 | 0.061 | 0.063 | 0.015 | 0.033 | 0.999* | -0.087 |
| 2.83 - 2.66 | 21290 | 1233 | 17.27 | 100.00 | 127.8 | 42.5 | 0.067 | 0.069 | 0.016 | 0.038 | 0.998* | -0.083 |
| 2.66 - 2.53 | 20398 | 1197 | 17.04 | 100.00 | 101.1 | 36.2 | 0.075 | 0.077 | 0.019 | 0.042 | 0.999* | 0.016 |
| 2.53 - 2.42 | 16664 | 1212 | 13.75 | 100.00 | 90.2 | 30.9 | 0.081 | 0.084 | 0.023 | 0.049 | 0.997* | 0.049 |
| 2.42 - 2.32 | 12512 | 1213 | 10.31 | 99.92 | 81.4 | 26.6 | 0.082 | 0.087 | 0.027 | 0.061 | 0.996* | 0.061 |
| 2.32 - 2.24 | 10403 | 1207 | 8.62 | 99.92 | 76.7 | 23.0 | 0.084 | 0.089 | 0.030 | 0.068 | 0.996* | 0.021 |
| 2.24 - 2.17 | 8636 | 1191 | 7.25 | 99.75 | 68.4 | 19.5 | 0.086 | 0.093 | 0.034 | 0.069 | 0.993* | -0.186 |
| 2.17 - 2.11 | 6956 | 1189 | 5.85 | 99.33 | 58.1 | 15.6 | 0.097 | 0.106 | 0.042 | 0.093 | 0.991* | -0.110 |
| 2.11 - 2.06 | 5477 | 1147 | 4.78 | 95.98 | 52.8 | 13.1 | 0.097 | 0.108 | 0.047 | 0.107 | 0.992* | -0.019 |
| 2.06 - 2.01 | 4340 | 1110 | 3.91 | 92.65 | 45.5 | 10.8 | 0.109 | 0.124 | 0.059 | 0.127 | 0.986* | -0.009 |
| 2.01 - 1.96 | 3144 | 1029 | 3.06 | 86.40 | 39.0 | 8.5 | 0.120 | 0.143 | 0.076 | 0.168 | 0.977* | -0.048 |
| 1.96 - 1.92 | 2115 | 929 | 2.28 | 77.35 | 35.2 | 6.9 | 0.121 | 0.149 | 0.086 | 0.168 | 0.967* | -0.321 |
| 1.92 - 1.88 | 1171 | 716 | 1.64 | 60.17 | 29.8 | 5.1 | 0.137 | 0.181 | 0.117 | 0.249 | 0.950* | 0.947 |
| 1.88 - 1.84 | 816 | 564 | 1.45 | 48.83 | 26.2 | 4.3 | 0.156 | 0.213 | 0.143 | 0.363 | 0.942* | 0.000 |
| 1.84 - 1.81 | 489 | 383 | 1.28 | 31.63 | 23.5 | 3.7 | 0.183 | 0.252 | 0.171 | 0.291 | 0.910* | 0.000 |
| 1.81 - 1.78 | 136 | 125 | 1.09 | 10.52 | 16.4 | 2.5 | 0.136 | 0.188 | 0.130 | 9.577 | 0.964* | 0.000 |
Error model details: Type: basic Parameters: a = 0.77657, b = 0.06540 Error model formula: σ'² = a²(σ² + (bI)²) estimated I/sigma asymptotic limit: 19.690
| Experiment number | scan image range | image range in use | associated batch range | Image template |
| 0 | (1, 600) | (1, 600) | (0, 599) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_112/images/image_17578_master.h5 |
| 1 | (1, 600) | (1, 600) | (600, 1199) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_12/images/image_17586_master.h5 |
| 2 | (1, 600) | (1, 600) | (1200, 1799) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_151/images/image_17607_master.h5 |
| 3 | (1, 600) | (1, 600) | (1800, 2399) | /dls/mx/data/mx21314/mx21314-30/VMXi-AB0813/well_46/images/image_17657_master.h5 |